4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one

C17H22N4O — CID 135113601

IUPAC4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
SMILESO=C(CCCn1cccn1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H22N4O/c22-17(3-1-11-21-12-2-8-19-21)20-13-6-16(7-14-20)15-4-9-18-10-5-15/h2,4-5,8-10,12,16H,1,3,6-7,11,13-14H2
InChIKeyFQGCJWJIRMHZFI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.46
Rot. Bonds5

About 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one

4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one (PubChem CID 135113601) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
PubChem CID135113601
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
SMILESO=C(CCCn1cccn1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H22N4O/c22-17(3-1-11-21-12-2-8-19-21)20-13-6-16(7-14-20)15-4-9-18-10-5-15/h2,4-5,8-10,12,16H,1,3,6-7,11,13-14H2
InChIKeyFQGCJWJIRMHZFI-UHFFFAOYSA-N
XLogP2.46
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-4-carboxamide
CID 135104743
1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 95758850
4-phenylmethoxy-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one
CID 91772094
(4aS,8aR)-4-methyl-6-(4-pyrazol-1-ylbutanoyl)-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110135706
3-benzylsulfanyl-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 91839545
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 94393017
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
(3S)-3-phenyl-1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 125166682
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
1-[(1S,9S)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-dien-12-yl]-4-pyrazol-1-ylbutan-1-one
CID 118783903
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one (CID 135113601) is 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one is O=C(CCCn1cccn1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one?
The InChIKey is FQGCJWJIRMHZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(3-1-11-21-12-2-8-19-21)20-13-6-16(7-14-20)15-4-9-18-10-5-15/h2,4-5,8-10,12,16H,1,3,6-7,11,13-14H2.
What are the key properties of 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one?
4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one has a molecular weight of 298.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-(4-pyridin-4-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 135113601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).